(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-(2-pyrrolidin-1-ylethyl)azanium

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-(2-pyrrolidin-1-ylethyl)azanium Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-(2-pyrrolidin-1-ylethyl)ammonium CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-(2-pyrrolidin-1-ylethyl)azanium Traditional Name: (3,5-ditert-butyl-4-hydroxy-benzyl)-(2-pyrrolidinoethyl)ammonium Formula: C21H37N2O+ MolecularWeight: 333.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH2+]CCN2CCCC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH2+]CCN2CCCC2

InChI

InChI=1S/C21H36N2O/c1-20(2,3)17-13-16(14-18(19(17)24)21(4,5)6)15-22-9-12-23-10-7-8-11-23/h13-14,22,24H,7-12,15H2,1-6H3/p+1